Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002360
Inhibitor Classpyrimidinone
Molecule Name in Refrence Article40 compound
IUPAC Name2-(2-methoxy-4-{12-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),4,9,11-pentaen-5-yl}phenoxy)acetic acid
FormulaC20H16N2O5S
Mass396.416
Exact Mass396.0779923
Composition C (60.6%), H (4.07%), N (7.07%), O (20.18%), S (8.09%)
Atom Count44
PI6.39
SmilesC(=O)(COc1c(cc(cc1)c1[nH]c2c(c(=O)n1)c1c(s2)ccc(c1)C)OC)O
InChI1S/C20H16N2O5S/c1-10-3-6-15-12(7-10)17-19(25)21-18(22-20(17)28-15)11-4-5-13(14(8-11)26-2)27-9-16(23)
24/h3-8H,9H2,1-2H3,(H,23,24)(H,21,22,25)
InChIKeyZSHHZCRNJBWKKT-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference20121196
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesFGFR1 | Src | ALL
Pub Chem Link 45103907
Drug Bank Link -
ChemSpider Link 24650065
ChEMBL Link CHEMBL599388
 
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